UCSF

ZINC20219490

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 37 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.96 14.44 -72.54 1 7 0 82 502.659 10
Lo Low (pH 4.5-6) 4.96 13.64 -48.52 2 7 1 79 503.667 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )